1-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]-N-methylmethanamine

C12H13BrClN3O — CID 84608935

IUPAC1-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]-N-methylmethanamine
SMILESCNCc1[nH]c(Br)nc1-c1ccc(OC)c(Cl)c1
InChIInChI=1S/C12H13BrClN3O/c1-15-6-9-11(17-12(13)16-9)7-3-4-10(18-2)8(14)5-7/h3-5,15H,6H2,1-2H3,(H,16,17)
InChIKeyRSULQZKJVBIFJP-UHFFFAOYSA-N
MW330.61 g/mol
LogP3.22
Rot. Bonds4

About 1-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]-N-methylmethanamine

1-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]-N-methylmethanamine (PubChem CID 84608935) has the molecular formula C12H13BrClN3O and a molecular weight of 330.61 g/mol. Its IUPAC name is 1-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]-N-methylmethanamine
PubChem CID84608935
Molecular FormulaC12H13BrClN3O
Molecular Weight330.61 g/mol
Exact Mass328.99
IUPAC Name1-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]-N-methylmethanamine
SMILESCNCc1[nH]c(Br)nc1-c1ccc(OC)c(Cl)c1
InChIInChI=1S/C12H13BrClN3O/c1-15-6-9-11(17-12(13)16-9)7-3-4-10(18-2)8(14)5-7/h3-5,15H,6H2,1-2H3,(H,16,17)
InChIKeyRSULQZKJVBIFJP-UHFFFAOYSA-N
XLogP3.22
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.61
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 84608942
1-[2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 84605929
1-[2-bromo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 84604249
[2-bromo-4-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine
CID 84605935
2-[5-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]ethanol
CID 84609239
1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 3299476
6-[2-bromo-5-(methylaminomethyl)-1H-imidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 84610309
1-[3-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 106888684
1-[4-(3-chloro-4-methoxyphenyl)-3-methylphenyl]-N-methylmethanamine
CID 66481251
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 4724470
5-(3-chloro-4-methoxyphenyl)-N-methyl-1H-imidazol-2-amine
CID 116879409
[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol
CID 116867349

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]-N-methylmethanamine (CID 84608935) is 1-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]-N-methylmethanamine is CNCc1[nH]c(Br)nc1-c1ccc(OC)c(Cl)c1.
What is the InChIKey of 1-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]-N-methylmethanamine?
The InChIKey is RSULQZKJVBIFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3O/c1-15-6-9-11(17-12(13)16-9)7-3-4-10(18-2)8(14)5-7/h3-5,15H,6H2,1-2H3,(H,16,17).
What are the key properties of 1-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]-N-methylmethanamine?
1-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]-N-methylmethanamine has a molecular weight of 330.61 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 84608935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).